SCHEMBL20996920

SCHEMBL20996920

Cc1cc(NC(=O)N2CCC(=Cc3ccc(N(C)C)cc3F)CC2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ HPGD P15428 5/20 0.39
▸ GAA P10253 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ KLK7 P49862 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ SRD5A2 P31213 4/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ MAPT P10636 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20996710 0.89 MEN1 (0.38) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL20996942 0.87 PROKR1 (0.47) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL20971829 0.79 TRPV1 (0.37) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL20971733 0.79 MAPT (0.44) ALDH1A1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL20997170 0.77 MEN1 (0.43) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL20997075 0.77 CYP3A4 (0.46) CYP3A4CYP2D6HTR2CSORT1
SCHEMBL20996720 0.76 PANK3 (0.41) ALDH1A1HPGDGAASMN1; SMN2CYP3A4
SCHEMBL20996955 0.75 PROKR1 (0.45) KDM4EALDH1A1MEN1KMT2ACYP3A4
SCHEMBL20996709 0.75 FAAH (0.45) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL20997147 0.73 TRPV1 (0.49) KDM4EGAAMEN1KMT2ACYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142810-A1 MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS BASILEA PHARM INT AG (CH) 2019-05-16 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190142810-A1 MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS NDUFAB1, FH, MT-ND1 KDM4E 4158/4885ALDH1A1 649/4885HPGD 750/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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